- InChI
- InChI=1S/C15H15ClO4/c1-4-11(3)19-14(17)7-8-15(18)20-13-6-5-10(2)9-12(13)16/h1,5-6,9,11H,7-8H2,2-3H3
- InChI Key
- JYVQBDYCYHIQCY-UHFFFAOYSA-N
- Formula
- C15H15ClO4
- SMILES
-
C#CC(C)OC(=O)CCC(=O)Oc1ccc(C)c
c1Cl - Molecular Weight1
- 294.73
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -90.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -358.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.75 | kJ/mol | Joback Calculated Property |
| log10WS | -4.23 | Crippen Calculated Property | |
| logPoct/wat | 2.899 | Crippen Calculated Property | |
| McVol | 216.970 | ml/mol | McGowan Calculated Property |
| Pc | 2171.40 | kPa | Joback Calculated Property |
| Inp | [2063.00; 2063.00] |
|
|
| Inp | 2063.00 | NIST | |
| Inp | 2063.00 | NIST | |
| Tboil | 758.93 | K | Joback Calculated Property |
| Tc | 981.00 | K | Joback Calculated Property |
| Tfus | 516.48 | K | Joback Calculated Property |
| Vc | 0.821 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [568.37; 630.93] | J/mol×K | [758.93; 981.00] |
|
| Cp,gas | 568.37 | J/mol×K | 758.93 | Joback Calculated Property |
| Cp,gas | 581.15 | J/mol×K | 795.94 | Joback Calculated Property |
| Cp,gas | 592.96 | J/mol×K | 832.95 | Joback Calculated Property |
| Cp,gas | 603.84 | J/mol×K | 869.97 | Joback Calculated Property |
| Cp,gas | 613.78 | J/mol×K | 906.98 | Joback Calculated Property |
| Cp,gas | 622.81 | J/mol×K | 943.99 | Joback Calculated Property |
| Cp,gas | 630.93 | J/mol×K | 981.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, but-3-yn-2-yl 2-chloro-4-methylphenyl ester.
Sources
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